Lithium Ion

Lithium Ion

SCHEMBL31309892

CCOC(=O)/C([O-])=C/C(=O)c1cn(Cc2ccccc2)cn1.[Li+]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RBP4 P02753 1/20 0.41
▸ KLKB1 P03952 2/20 0.41
▸ CYP19A1 P11511 4/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ KDM5A P29375 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12080676 0.88 ALDH1A1 (0.44) ALDH1A1LMNARBP4KLKB1CYP19A1
SCHEMBL12076047 0.88 ALDH1A1 (0.44) ALDH1A1LMNARBP4KLKB1CYP19A1
SCHEMBL12076045 0.88 ALDH1A1 (0.44) ALDH1A1LMNARBP4KLKB1CYP19A1
SCHEMBL1807013 0.87 ALDH1A1 (0.43) ALDH1A1LMNARBP4KLKB1CYP19A1
SCHEMBL18353717 0.81 ALDH1A1 (0.44) ALDH1A1LMNARBP4KLKB1CYP19A1
SCHEMBL20656320 0.79 KLKB1 (0.44) ALDH1A1LMNARBP4KLKB1CYP19A1
SCHEMBL9248509 0.79 LMNA (0.60) ALDH1A1LMNARBP4KLKB1CYP19A1
SCHEMBL1129548 0.75 KLKB1 (0.47) ALDH1A1LMNARBP4KLKB1CDK5
SCHEMBL24310642 0.72 KDM4C (0.52) ALDH1A1LMNARBP4KLKB1CDK5
SCHEMBL16690901 0.71 RBP4 (0.54) LMNARBP4KLKB1CYP19A1CDK5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3885340-B1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORP (FI) 2024-11-27 — — EP disclosed
Send feedback